1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
TL;DR: 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 904813-71-4) is a chemical compound with molecular formula C18H22N6OS and molecular weight 370.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
Also Known As: 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, VU0609342-1, F3296-0481, 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide, [1-(4-butylphenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(5-ethyl(1,3,4-thiadiazol-2 -yl))carboxamide
| Molecular Formula | C18H22N6OS |
|---|---|
| Molecular Weight | 370.16 g/mol |
| LogP | 3.58452 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.1576 |
| Heavy Atoms | 26 |
| Complexity | 883.48083 |
Chemical Identifiers
| CAS Number | 904813-71-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=NN=C(S3)CC)C |
Product Overview
1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 904813-71-4), with molecular formula C18H22N6OS and molecular weight 370.16 g/mol. IUPAC: 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Property Insights of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 3.58452 indicates that 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is 904813-71-4.
What is the molecular formula of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is C18H22N6OS.
What is the molecular weight of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is 370.16 g/mol.
Where can I buy 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.